Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
B2RTY4
UPID:
MYO9A_HUMAN
Alternative names:
Unconventional myosin-9a
Alternative UPACC:
B2RTY4; B0I1T5; C9IYB3; C9JA86; Q14787; Q3YLD7; Q3YLD8; Q6P986; Q9H8T5; Q9NTG2; Q9NUY2; Q9UEP3; Q9UNJ2
Background:
Unconventional myosin-IXa, also known as myosin-9a, is an actin-based motor molecule with ATPase activity, pivotal in intracellular movements. It plays a crucial role in regulating Rho by stimulating its GTPase activity in neurons, essential for neurite branching and motor neuron axon guidance.
Therapeutic significance:
Linked to Myasthenic syndrome, congenital, 24, presynaptic, unconventional myosin-IXa's understanding could pave the way for innovative therapeutic strategies targeting neuromuscular transmission disorders.